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# input file for test14
#
# script for SF6 photoionization test run using G03 output for orbitals
#
 Label 'SF6 core ionization'
 LMax   15     # maximum l to be used for wave functions
 LMaxI  40     # maximum l value used to determine numerical angular grids
 EMax  100.0    # EMax, maximum asymptotic energy in eV
 OrbOcc        # occupation of the orbital groups of target
 1 4 6 2 2 6 2 6 4 2 6 6 4 6 6 6
 ScatSym     'T1U' # Scattering symmetry of total final state
 ScatContSym 'T1U' # Scattering symmetry of continuum electron
 SpinDeg 1         # Spin degeneracy of the total scattering state (=1 singlet)
 TargSym 'A1G'      # Symmetry of the target state
 TargSpinDeg 2     # Target spin degeneracy
 InitSym 'A1G'      # Initial state symmetry
 InitSpinDeg 1     # Initial state spin degeneracy
 OrbOccInit        # Orbital occupation of initial state
 2 4 6 2 2 6 2 6 4 2 6 6 4 6 6 6
 ScatEng 0.1 60.0 90.0  # list of scattering energies
 FegeEng 2490.  # Energy correction used in the fege potential
 IPot 2490.    # IPot, ionization potential
Convert '$pt/test14.g03' 'gaussian'
FileName 'MatrixElements' 'test14.idy' 'REWIND'
FileName 'PlotData' 'test14.dat' 'REWIND'
GetBlms
ExpOrb
GenFormPhIon
DipoleOp
GetPot
PhIon
GetCro
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